Information card for entry 8107610

Structure parameters

• Formula: C16 H11 Cl2 F N2
• Calculated formula: C16 H11 Cl2 F N2
• Title of publication: The crystal structure of 4-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-1H-imidazole, C16H11Cl2FN2
• Authors of publication: Li, Yiting; Zhang, Xiaochun; Weng, Xingshang; Zhuang, Xuewen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 957 - 958
• a: 9.6732 ± 0.0003 Å
• b: 15.5602 ± 0.0005 Å
• c: 19.0881 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2873.08 ± 0.16 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No